Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(C(=O)CN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 462.11 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 99.68 |
cLogP: | 1.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Ketone
Dye 11
PET-UNK-94036022-12
PET-UNK-94036022-9
PET-UNK-94036022-8
PET-UNK-94036022-6
PET-UNK-94036022-5
PET-UNK-94036022-4
PET-UNK-94036022-1
PET-UNK-94036022-14
PET-UNK-94036022-13
PET-UNK-94036022-11
PET-UNK-94036022-10
PET-UNK-94036022-7
PET-UNK-94036022-2
PET-UNK-94036022-3
EDJ-MED-fd8ed875-5
0.679
PET-UNK-14142a25-10
0.667
EDJ-MED-8bb691af-8
0.667
PET-UNK-14142a25-1
0.667
MIK-ENA-37e0b697-1
0.667
LUO-POS-9931618f-1
0.667
MIK-ENA-794411b8-1
0.667
LUO-POS-9931618f-2
0.667
PET-UNK-14142a25-11
0.642
PET-UNK-14142a25-2
0.642
PET-UNK-14142a25-8
0.639
PET-UNK-14142a25-17
0.639
EDJ-MED-8bb691af-9
0.620
PET-UNK-14142a25-4
0.618
PET-UNK-14142a25-13
0.618
PET-UNK-14142a25-6
0.613
PET-UNK-14142a25-15
0.613
MAT-POS-1bed62cf-2
0.596
LUO-POS-868e8996-7
0.596
LUO-POS-868e8996-8
0.596
EDJ-MED-fed7ac0b-1
0.586
EDJ-MED-a6bd6de0-1
0.584
EDJ-MED-b0f3342b-1
0.584
EDJ-MED-fd8ed875-3
0.582
PET-UNK-4c71d490-3
0.580
PET-UNK-4c71d490-7
0.580
PET-UNK-4c71d490-1
0.575
PET-UNK-4c71d490-5
0.575
EDJ-MED-8bb691af-7
0.573
EDJ-MED-fed7ac0b-4
0.571
EDJ-MED-fd8ed875-1
0.571
MIC-UNK-eb20c3e1-2
0.566
JOH-MSK-4bb3d434-1
0.564
ALP-POS-c3a90b22-5
0.562
EDJ-MED-33064c06-1
0.561
EDJ-MED-33064c06-2
0.558
EDJ-MED-33064c06-3
0.552
LUO-POS-8c3e556a-2
0.545
EDG-MED-b1ef7fe3-1
0.545
LUO-POS-8c3e556a-1
0.545
EDJ-MED-33064c06-18
0.544
EDJ-MED-33064c06-5
0.543
EDJ-MED-33064c06-12
0.543
JOH-MSK-4bb3d434-4
0.540
EDJ-MED-33064c06-8
0.539
EDJ-MED-4cb9dd84-1
0.539
VLA-UNK-8e615992-5
0.534
EDJ-MED-3af0740c-1
0.534
EDJ-MED-33064c06-15
0.534
VLA-UNK-61877630-6
0.534
EDG-MED-b1ef7fe3-4
0.532
EDJ-MED-33064c06-14
0.530
VLA-UNK-61877630-4
0.526
VLA-UNK-8e615992-1
0.526
EDJ-MED-cc48ee33-7
0.526
EDJ-MED-0d144977-3
0.526
MAT-POS-38eb6498-6
0.526
EDJ-MED-33064c06-10
0.525
ALP-POS-c3a90b22-11
0.525
EDJ-MED-33064c06-6
0.525
VLA-UNK-61877630-5
0.522
EDJ-MED-b6c6ee2b-6
0.522
VLA-UNK-8e615992-2
0.522
EDJ-MED-0d144977-2
0.522
JOH-MSK-4bb3d434-5
0.522
EDG-MED-b1ef7fe3-2
0.522
EDJ-MED-33064c06-4
0.521
EDJ-MED-33064c06-17
0.521
EDJ-MED-33064c06-9
0.521
ALP-POS-c3a90b22-12
0.521
ALP-POS-afe0272e-2
0.518
MAT-POS-e48723dc-2
0.517
LUO-POS-e1dab717-2
0.517
EDJ-MED-976a33d5-1
0.517
MAT-POS-576f7758-2
0.517
MAT-POS-e48723dc-1
0.517
VLA-UNK-8e615992-4
0.517
VLA-UNK-61877630-3
0.517
PET-UNK-aa57768f-2
0.514
PET-UNK-aa57768f-8
0.514
MAT-POS-ddfe83c6-1
0.513
EDJ-MED-98c0a822-3
0.508
ALP-POS-c3a90b22-1
0.508
EDJ-MED-8bb691af-4
0.504
MAT-POS-853c0ffa-2
0.504
MAT-POS-c7726e07-5
0.504
LUO-POS-868e8996-11
0.504
MAT-POS-c7726e07-6
0.504
LUO-POS-868e8996-5
0.504
LUO-POS-868e8996-6
0.504
EDJ-MED-43f8f7d6-5
0.504
LUO-POS-868e8996-12
0.504
ALP-POS-e266d783-1
0.504
EDG-MED-b1ef7fe3-3
0.504
DAR-DIA-0f7b7cd9-9
0.500
PET-UNK-aa57768f-3
0.500
PET-UNK-aa57768f-9
0.500
ALP-POS-c3a90b22-3
0.500
EDJ-MED-33064c06-13
0.500
EDJ-MED-7d88f880-1
0.500